ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-7205 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C22 H19 N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2C)SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9335 |
| logD: | 4.9136 |
| logSw: | -4.6046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.535 |
| InChI Key: | PSFKOHQEOYBCLP-UHFFFAOYSA-N |